3-[4-(3-benzo[b][1]benzazepin-11-ylpropoxy)phenyl]-2-propoxy-propanoic acid

Systemtic Name: 3-[4-(3-benzo[b][1]benzazepin-11-ylpropoxy)phenyl]-2-propoxy-propanoic acid Openeye Name: 3-[4-(3-benzo[b][1]benzazepin-11-ylpropoxy)phenyl]-2-propoxy-propanoic acid CAS Name: 3-[4-[3-(11-benzo[b][1]benzazepinyl)propoxy]phenyl]-2-propoxypropanoic acid IUPAC Name: 3-[4-(3-benzo[b][1]benzazepin-11-ylpropoxy)phenyl]-2-propoxypropanoic acid Traditional Name: 3-[4-(3-benzo[b][1]benzazepin-11-ylpropoxy)phenyl]-2-propoxy-propionic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CCCOC(CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C29H31NO4/c1-2-19-34-28(29(31)32)21-22-12-16-25(17-13-22)33-20-7-18-30-26-10-5-3-8-23(26)14-15-24-9-4-6-11-27(24)30/h3-6,8-17,28H,2,7,18-21H2,1H3,(H,31,32)